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890099-94-2 | 3-ACETOXY-4'-PENTYLBENZOPHENONE
CAS No: 890099-94-2 Catalog No: AG0044NZ MDL No:
Product Description
Catalog Number:
AG0044NZ
Chemical Name:
3-ACETOXY-4'-PENTYLBENZOPHENONE
CAS Number:
890099-94-2
Molecular Formula:
C20H22O3
Molecular Weight:
310.3869
IUPAC Name:
[3-(4-pentylbenzoyl)phenyl] acetate
InChI:
InChI=1S/C20H22O3/c1-3-4-5-7-16-10-12-17(13-11-16)20(22)18-8-6-9-19(14-18)23-15(2)21/h6,8-14H,3-5,7H2,1-2H3
InChI Key:
BLYYMPNSKZAFJI-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)C(=O)c1cccc(c1)OC(=O)C
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.157g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.393g/mol
Monoisotopic Mass:
310.157g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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